1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

C15H17NO2 — CID 117360112

IUPAC1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(O)c(C2(N=C=O)CC2)c2c1CCCC2
InChIInChI=1S/C15H17NO2/c1-10-8-13(18)14(15(6-7-15)16-9-17)12-5-3-2-4-11(10)12/h8,18H,2-7H2,1H3
InChIKeyZUCKFRXEIRNLPR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.90
Rot. Bonds2

About 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 117360112) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID117360112
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCc1cc(O)c(C2(N=C=O)CC2)c2c1CCCC2
InChIInChI=1S/C15H17NO2/c1-10-8-13(18)14(15(6-7-15)16-9-17)12-5-3-2-4-11(10)12/h8,18H,2-7H2,1H3
InChIKeyZUCKFRXEIRNLPR-UHFFFAOYSA-N
XLogP2.90
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}

Analyze 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-4-(1-isocyanatocyclopropyl)-3,5-dimethylphenol
CID 117452981
1-(1-hydroxycyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117311132
3-bromo-1-(1-isocyanatocyclopropyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117493014
2,4-difluoro-3-(1-isocyanatocyclopropyl)-1,5-dimethylbenzene
CID 84788887
2-(1-isocyanatocyclobutyl)-4,5-dimethylphenol
CID 117309379
2-(1-isocyanatocyclobutyl)-5-methylbenzene-1,4-diol
CID 117311981
5-fluoro-4-(1-isocyanatocyclopropyl)-2-methylphenol
CID 117295513
4-(1-isocyanatocyclopropyl)-7-methyl-2,3-dihydro-1H-indene
CID 117304389
5-bromo-3-(1-isocyanatocyclopropyl)-2-methoxy-4-methylphenol
CID 117479756
6-fluoro-2-(1-isocyanatocyclopentyl)-3-methylphenol
CID 117341959
5-bromo-2-(1-isocyanatocyclopentyl)-3,6-dimethylphenol
CID 117494889
4-chloro-2-(1-isocyanatocyclopentyl)-3,6-dimethylphenol
CID 117418617

Frequently Asked Questions

What is the IUPAC name of 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 117360112) is 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is Cc1cc(O)c(C2(N=C=O)CC2)c2c1CCCC2.
What is the InChIKey of 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is ZUCKFRXEIRNLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-10-8-13(18)14(15(6-7-15)16-9-17)12-5-3-2-4-11(10)12/h8,18H,2-7H2,1H3.
What are the key properties of 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol?
1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 243.31 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-isocyanatocyclopropyl)-4-methyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 117360112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).